[CP2K-user] please comment;

Espen Tangen espen... at gmail.com
Mon May 13 12:52:09 UTC 2019

Number of FAILED  tests 0
Number of WRONG   tests 1
Number of CORRECT tests 3053
Number of NEW     tests 19
Total number of   tests 3073
GREPME 0 1 3053 19 3073 X
Regtest took 1423.00 seconds.

Failed test is: 

Fist/regtest-1-4/water_atprop_ewald.inp.out : 
 POTENTIAL ENERGY : ref = 0.375664704477E-02 new = 0.375664704476E-02  
 relative error :   2.66189859e-12 >  numerical tolerance = 1.0E-14  

May I regard this as satisfying, or do I need to do anything about the compilation/code?

Note that I get no errors for popt and O2 flag, with intel compiler 2017.0.4.


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